SCHEMBL4126942

SCHEMBL4126942

COC(=O)c1c(C)c(-c2ccc(Cl)cc2Cl)cc(C(C)(C)C)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.42
SLC6A3 Q01959 1/20 0.41
NR1H4 Q96RI1 2/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ERBB2 P04626 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4121697 0.81 MAPT (0.44) NR1H4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL4134604 0.81 SLC6A3 (0.41) SLC6A3MAPTKDM4EALDH1A1PKM
SCHEMBL4114952 0.80 CYP3A4 (0.42) MAPTKDM4ENPC1ALDH1A1CYP1A2
SCHEMBL4121201 0.76 MAPT (0.43) MAPTKDM4ENPC1ALDH1A1RECQL
SCHEMBL4128012 0.76 MAPT (0.44) NR1H4MAPTNPC1ALDH1A1CYP1A2
SCHEMBL4121518 0.75 KDM4E (0.42) MAPTKDM4ENPC1ALDH1A1CYP2C9
SCHEMBL4123849 0.75 GLRA3 (0.50) ALPLNR1H4ALDH1A1CYP2C9CYP2C19
SCHEMBL4128033 0.73 SLC6A3 (0.51) ALPLSLC6A3KDM4EALDH1A1CYP1A2
SCHEMBL4126176 0.72 TSHR (0.39) MAPTALDH1A1CYP3A4HPGD
SCHEMBL4114975 0.72 ALDH1A1 (0.39) MAPTKDM4EALDH1A1CYP3A4HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 ALPL 3930/4885SLC6A3 1449/4885NR1H4 121/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.